2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one

C15H22N4O2S — CID 74230873

IUPAC2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(C3CCSCC3)CC2)ccc1=O
InChIInChI=1S/C15H22N4O2S/c1-17-14(20)3-2-13(16-17)15(21)19-8-6-18(7-9-19)12-4-10-22-11-5-12/h2-3,12H,4-11H2,1H3
InChIKeyZWCDMZHNEGATHF-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.43
Rot. Bonds2

About 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 74230873) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID74230873
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(C3CCSCC3)CC2)ccc1=O
InChIInChI=1S/C15H22N4O2S/c1-17-14(20)3-2-13(16-17)15(21)19-8-6-18(7-9-19)12-4-10-22-11-5-12/h2-3,12H,4-11H2,1H3
InChIKeyZWCDMZHNEGATHF-UHFFFAOYSA-N
XLogP0.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one (CID 74230873) is 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCN(C3CCSCC3)CC2)ccc1=O.
What is the InChIKey of 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is ZWCDMZHNEGATHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-17-14(20)3-2-13(16-17)15(21)19-8-6-18(7-9-19)12-4-10-22-11-5-12/h2-3,12H,4-11H2,1H3.
What are the key properties of 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 322.43 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(thian-4-yl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 74230873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).